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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electronic and Vibrational Contributions to the Bulk Stabilities of Trivalent 3d Transition Metal Oxyhydroxides from Electronic Structure Calculations

Any understanding of the thermodynamic driving forces active in the global cycles of earth abundant metals requires attendant knowledge of the bulk mineral free energies. This can be particularly challenging for metal (oxyhydr)oxide phases which at low temperature aqueous conditions can be produced at a variety of hydration states and particle sizes. Here we present high quality density functional theory calculations of the relative bulk stabilities of a geologically important family of polymorphic trivalent metal oxyhydroxide crystal structures MOOH (M=Cr, Al, Fe). To improve understanding of their relative stabilities we permute the metal cations into the various possible canonical structure types including goethite (isostructural to diaspore and bracewillite), lepidocrocite (isosctructural to boehmite), guyaniite, and grimaldiite. Electronic, vibrational, and magnetic contributions are considered on a consistent theoretical footing using hybrid functionals and converged plane-wave bases. We find the considered bulk structures to be thermodynamically degenerate within the precision of the available theory, despite the fact that the vibrational and magnetic contributions vary substantially among the cations. A significant conclusion is that Cr3+ supports strong hydrogen bonds, low O-H stretching frequencies and facile H movement relative to the other cations.

Prange, Micah P.↗
DOE OSTI2021

Towards single-chip radiofrequency signal processing via acoustoelectric electron–phonon interactions

Abstract The addition of active, nonlinear, and nonreciprocal functionalities to passive piezoelectric acoustic wave technologies could enable all-acoustic and therefore ultra-compact radiofrequency signal processors. Toward this goal, we present a heterogeneously integrated acoustoelectric material platform consisting of a 50 nm indium gallium arsenide epitaxial semiconductor film in direct contact with a 41° YX lithium niobate piezoelectric substrate. We then demonstrate three of the main components of an all-acoustic radiofrequency signal processor: passive delay line filters, amplifiers, and circulators. Heterogeneous integration allows for simultaneous, independent optimization of the piezoelectric-acoustic and electronic properties, leading to the highest performing surface acoustic wave amplifiers ever developed in terms of gain per unit length and DC power dissipation, as well as the first-ever demonstrated acoustoelectric circulator with an isolation of 46 dB with a pulsed DC bias. Finally, we describe how the remaining components of an all-acoustic radiofrequency signal processor are an extension of this work.

36 MATERIALS SCIENCE↗
DOE OSTI2023

All-electron APW+ lo calculation of magnetic molecules with the SIRIUS domain-specific package

We report APW+lo (augmented plane wave plus local orbital) density functional theory (DFT) calculations of large molecular systems using the domain specific SIRIUS multi-functional DFT package. The APW and FLAPW (full potential linearized APW) task and data parallelism options and the advanced eigen-system solver provided by SIRIUS can be exploited for performance gains in ground state Kohn–Sham calculations on large systems. This approach is distinct from our prior use of SIRIUS as a library backend to another APW+lo or FLAPW code. We benchmark the code and demonstrate performance on several magnetic molecule and metal organic framework systems. We show that the SIRIUS package in itself is capable of handling systems as large as a several hundred atoms in the unit cell without having to make technical choices that result in the loss of accuracy with respect to that needed for the study of magnetic systems.

Chemistry↗
DOE OSTI2020

Energy density and spectrum of single-cycle and sub-cycle electromagnetic pulses

Based on the exact solution of the Maxwell equations in the form of a collapsing spherical vector wave specified by an arbitrary function of time, we have calculated the maximum energy density that can be achieved when focusing extremely short pulses of various shapes. It is shown that our earlier formula expressing the maximum energy density in terms of the spectrum parameters for Gaussian quasi-monochromatic pulses is approximately (with an accuracy of ±40 %) valid for the main types of extremely short pulses. (extremely short laser pulses)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Growth and Saturation of the Electron Drift Instability in a Crossed Field Plasma

The linear growth and nonlinear energy transfer of the electron drift instability (EDI) are experimentally measured in the plume of a low-temperature, Hall effect discharge. A frequency-based bispectral analysis technique applied to fast ion density fluctuation measurements shows a growth rate function that is qualitatively similar to predictions from the linear instability dispersion relation, but an order of magnitude smaller. Calculation of the nonlinear transfer function indicates multiple three-wave interactions between high-frequency resonances of the instability in addition to an inverse energy cascade toward lower-frequency modes. Furthermore, these results are discussed in the context of recent theoretical, numerical, and experimental efforts on the EDI in Hall effect discharges and how the EDI may impact anomalous cross field transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Codimension-two spiral spin liquid in the effective honeycomb-lattice compound Cs 3 ⁢Fe 2 ⁢Cl 9

A codimension-two spiral spin liquid is a correlated paramagnetic state with one-dimensional ground state degeneracy hosted within a three-dimensional lattice. Here, in this work, via neutron scattering experiments and numerical simulations, we establish the existence of a codimension-two spiral spin liquid in the effective honeycomb-lattice compound Cs 3 ⁢Fe 2⁢ Cl 9 , which demonstrates an alternate path to spiral spin liquids by overcoming the long-standing impediment of weak further-neighbor interactions. In the long-range ordered regime, competing spiral and spin density wave orders emerge as a function of applied magnetic field, among which a possible order-by-disorder transition is identified.

Monte Carlo methods↗
NASA NTRS1971

Electronic signal generators: A compilation

Electronic signal generator data based on solid state concepts were simplified or refined to meet requirements, such as reliability, simplicity, fail-safe characteristics, and the capability of withstanding environmental extremes. Pulse generators, high voltage pulse generators, oscillators, analog signal generators, square wave signal generators, and special function signal generators are described.

Source record↗
NASA NTRS1971

Lunar magnetic field measurements, electrical conductivity calculations and thermal profile inferences

Steady magnetic field measurements of magnitude 30 to 100 gamma on the lunar surface impose problems of interpretation when coupled with the nondetectability of a lunar field at 0.4 lunar radius altitude and the limb induced perturbations of the solar wind at the Explorer orbit. The lunar time-varying magnetic field clearly indicates the presence of eddy currents in the lunar interior and permits calculation of an electrical conductivity profile. The problem is complicated by the day-night asymmetry of the moon's electromagnetic environment, the possible presence of the transverse magnetic mode, and the variable wave directions of the driving function. The electrical conductivity is calculated to be low near the surface, rising to a peak of .006/ohm meter at 250 km, dropping steeply inwards to a value of about .00005/ohm meter, and then rising toward the interior. A transition at 250 km depth from a high conductivity to a low conductivity material is inferred, suggesting an olivine-like core at approximately 800 C, although other models are possible.

Colburn, D. S.↗
NASA NTRS1972

Spectral absorption coefficients of argon and silicon and spectral reflectivity of aluminum

A theoretical investigation was conducted to estimate the spectral properties of argon as a function of pressure, temperature, and wave number. The spectral characteristics of the argon buffer gas exert a strong influence on radiative energy transfer in the in-reactor test configuration of the nuclear light bulb engine. An existing computer program was modified and used to calculate the spectral absorption coefficients of argon at total pressures of 50, 100, 250, 500, 750 and 1000 atm in the temperature interval between 1000 and 30,000 K. At each pressure and temperature, spectral properties were calculated for forty-seven wave numbers in the interval between 1000 and 1,000,000 cm/1. Estimates of the spectral absorption coefficients of silicon were made as part of an evaluation of silicon vapor as a possible buffer-gas seeding agent for the reference nuclear light bulb engine. Existing cross-section data were used to calculate the spectral characteristics of silicon at twenty-four temperatures in the interval between 2000 and 10,000 K.

Krascella, N. L.↗
NASA NTRS1972

The transmission of low frequency medical data using delta modulation techniques.

The transmission of low-frequency medical data using delta modulation techniques is described. The delta modulators are used to distribute the low-frequency data into the passband of the telephone lines. Both adaptive and linear delta modulators are considered. Optimum bit rates to minimize distortion and intersymbol interference are discussed. Vibrocardiographic waves are analyzed as a function of bit rate and delta modulator configuration to determine their reproducibility for medical evaluation.

Arndt, G. D.↗
NASA NTRS1973

Shockwave-boundary layer interference heating analysis.

Interference heating correlations have been developed based on existing wind tunnel test data taken with simple configurations such as wedge/flat plate and compression corner models. For turbulent flow, peak interference heating was first correlated with shock strength (pressure ratio across shock wave) and then as a function of Reynolds number. The peak interference Stanton number was found to exhibit the same Reynolds number and Prandtl number characteristics as the Stanton number variation for undisturbed flow over a flat plate. Similar correlations were developed for laminar flow. Results indicated that for laminar flow at higher Reynolds number, the impinging shockwave may act as a boundary layer trip and cause boundary layer transition resulting in high interference heating. The correlations derived in this study can be used to scale wind tunnel model test data to a full-scale space vehicle at supersonic or hypersonic flight conditions.

Hung, F. T.↗
NASA NTRS1975

The effect of intermediate-scale motions on line formation

The problem of LTE and non-LTE line formation in the presence of nonthermal velocity fields with geometric scales between the microscopic and macroscopic limits is investigated in the cases of periodic sinusoidal and sawtooth waves. For a fixed source function (the LTE case), it is shown that time-averaged line profiles progress smoothly from the microscopic to the macroscopic limits as the geometric scale of the motions increases, that the sinusoidal motions produce symmetric time-averaged profiles, and that the sawtooth motions cause a redshift. In several idealized non-LTE cases, it is found that intermediate-scale velocity fields can significantly increase the surface source functions and line-core intensities. Calculations are made for a two-level atom in an isothermal atmosphere for a range of velocity scales and non-LTE coupling parameters and also for a two-level atom and a four-level representation of Na I line formation in the Harvard-Smithsonian Reference Atmosphere (1971) solar model. It is found that intermediate-scale velocity fields in the solar atmosphere could explain the central intensities of the Na I D lines and other strong absorption lines without invoking previously suggested high electron densities.

Shine, R. A.↗